methyl 4-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-[(1-bromo-2-naphthyl)oxy]acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-bromo-2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H17BrN2O4S/c1-27-20(26)14-6-9-15(10-7-14)23-21(29)24-18(25)12-28-17-11-8-13-4-2-3-5-16(13)19(17)22/h2-11H,12H2,1H3,(H2,23,24,25,29)